CHEBI:180861 - PA(24:0/22:5(4Z,7Z,10Z,13Z,16Z))

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ChEBI Name PA(24:0/22:5(4Z,7Z,10Z,13Z,16Z))
ChEBI ID CHEBI:180861
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C49H87O8P
Net Charge 0
Average Mass 835.201
Monoisotopic Mass 834.61386
InChI InChI=1S/C49H87O8P/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-27-29-31-33-35-37-39-41-43-48(50)55-45-47(46-56-58(52,53)54)57-49(51)44-42-40-38-36-34-32-30-28-25-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,25,28,32,34,38,40,47H,3-11,13,15-17,19,21-24,26-27,29-31,33,35-37,39,41-46H2,1-2H3,(H2,52,53,54)/b14-12-,20-18-,28-25-,34-32-,40-38-/t47-/m1/s1
InChIKey AJFDNMLADAGEEY-SJSXIEAESA-N
SMILES P(OC[C@H](OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(O)(O)=O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood serum (BTO:0000133). See: MetaboLights Study
Roles Classification
Biological Role(s): Escherichia coli metabolite
Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
(via phosphatidic acid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing PA(24:0/22:5(4Z,7Z,10Z,13Z,16Z)) (CHEBI:180861) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name
[(2R)-2-[(4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoyl]oxy-3-phosphonooxypropyl] tetracosanoate
Manual Xrefs Databases
74877189 ChemSpider
HMDB0115450 HMDB
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